Ruthenium in PDB 6g8s: [Ru(Tap)2(11,12-CN2-Dppz)]2+ Bound to D(Ccggacccgg/Ccgggtccgg)2

The structure of [Ru(Tap)2(11,12-CN2-Dppz)]2+ Bound to D(Ccggacccgg/Ccgggtccgg)2, PDB code: 6g8s was solved by K.T.Mcquaid, J.P.Hall, C.J.Cardin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.62 / 1.66
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	47.247, 47.247, 33.981, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 20.3

The structure of [Ru(Tap)2(11,12-CN2-Dppz)]2+ Bound to D(Ccggacccgg/Ccgggtccgg)2 also contains other interesting chemical elements:

Barium

(Ba)

2 atoms

The binding sites of Ruthenium atom in the [Ru(Tap)2(11,12-CN2-Dppz)]2+ Bound to D(Ccggacccgg/Ccgggtccgg)2 (pdb code 6g8s). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total 2 binding sites of Ruthenium where determined in the [Ru(Tap)2(11,12-CN2-Dppz)]2+ Bound to D(Ccggacccgg/Ccgggtccgg)2, PDB code: 6g8s:
Jump to Ruthenium binding site number: 1; 2;

Ruthenium binding site 1 out of 2 in the [Ru(Tap)2(11,12-CN2-Dppz)]2+ Bound to D(Ccggacccgg/Ccgggtccgg)2


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of [Ru(Tap)2(11,12-CN2-Dppz)]2+ Bound to D(Ccggacccgg/Ccgggtccgg)2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru102 b:37.4 occ:1.00 RU A:EQQ102 0.0 37.4 1.0 N40 A:EQQ102 2.0 33.9 1.0 N22 A:EQQ102 2.0 37.9 1.0 N26 A:EQQ102 2.0 40.5 1.0 N17 A:EQQ102 2.0 39.3 1.0 N39 A:EQQ102 2.0 38.2 1.0 N50 A:EQQ102 2.0 36.7 1.0 C45 A:EQQ102 2.8 38.0 1.0 C38 A:EQQ102 2.8 40.8 1.0 C19 A:EQQ102 2.8 42.0 1.0 C30 A:EQQ102 2.8 40.4 1.0 C18 A:EQQ102 2.8 36.1 1.0 C49 A:EQQ102 2.8 40.8 1.0 C41 A:EQQ102 3.1 40.6 1.0 C23 A:EQQ102 3.1 43.2 1.0 C16 A:EQQ102 3.1 42.4 1.0 C27 A:EQQ102 3.1 44.8 1.0 C37 A:EQQ102 3.1 41.9 1.0 C53 A:EQQ102 3.1 41.3 1.0 C20 A:EQQ102 4.1 43.0 1.0 C13 A:EQQ102 4.1 36.4 1.0 C44 A:EQQ102 4.2 38.3 1.0 C31 A:EQQ102 4.2 39.8 1.0 C34 A:EQQ102 4.2 43.9 1.0 C48 A:EQQ102 4.2 39.1 1.0 C24 A:EQQ102 4.2 41.6 1.0 C42 A:EQQ102 4.3 41.7 1.0 C15 A:EQQ102 4.3 42.0 1.0 C28 A:EQQ102 4.3 40.6 1.0 C36 A:EQQ102 4.3 45.0 1.0 C52 A:EQQ102 4.3 43.6 1.0 O2 B:DC2 4.6 42.8 1.0 C25 A:EQQ102 4.7 43.5 1.0 N43 A:EQQ102 4.7 40.1 1.0 C14 A:EQQ102 4.7 36.4 1.0 N29 A:EQQ102 4.7 39.2 1.0 N35 A:EQQ102 4.7 41.7 1.0 N51 A:EQQ102 4.7 44.4 1.0 O4' B:DC2 4.8 47.5 1.0 N2 A:DG9 4.9 41.2 0.5 N2 A:DG9 4.9 40.9 0.5

Ruthenium binding site 2 out of 2 in the [Ru(Tap)2(11,12-CN2-Dppz)]2+ Bound to D(Ccggacccgg/Ccgggtccgg)2


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 2 of [Ru(Tap)2(11,12-CN2-Dppz)]2+ Bound to D(Ccggacccgg/Ccgggtccgg)2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ru102 b:37.1 occ:1.00 RU B:EQQ102 0.0 37.1 1.0 N40 B:EQQ102 2.0 33.0 1.0 N26 B:EQQ102 2.0 40.1 1.0 N17 B:EQQ102 2.0 40.2 1.0 N22 B:EQQ102 2.0 37.2 1.0 N50 B:EQQ102 2.0 38.2 1.0 N39 B:EQQ102 2.0 40.1 1.0 C45 B:EQQ102 2.8 37.9 1.0 C49 B:EQQ102 2.8 37.0 1.0 C18 B:EQQ102 2.8 37.0 1.0 C19 B:EQQ102 2.8 43.4 1.0 C30 B:EQQ102 2.8 41.1 1.0 C38 B:EQQ102 2.8 42.3 1.0 C41 B:EQQ102 3.0 42.7 1.0 C23 B:EQQ102 3.1 46.8 1.0 C27 B:EQQ102 3.1 45.0 1.0 C16 B:EQQ102 3.1 43.0 1.0 C37 B:EQQ102 3.1 43.2 1.0 C53 B:EQQ102 3.1 43.4 1.0 C20 B:EQQ102 4.1 45.8 1.0 C13 B:EQQ102 4.1 39.5 1.0 C44 B:EQQ102 4.1 38.1 1.0 C31 B:EQQ102 4.2 41.5 1.0 C48 B:EQQ102 4.2 36.4 1.0 C34 B:EQQ102 4.2 43.6 1.0 C42 B:EQQ102 4.2 41.6 1.0 C24 B:EQQ102 4.3 47.8 1.0 C28 B:EQQ102 4.3 42.4 1.0 C15 B:EQQ102 4.3 41.9 1.0 C36 B:EQQ102 4.3 45.0 1.0 C52 B:EQQ102 4.3 45.0 1.0 O2 A:DC2 4.5 42.4 1.0 N43 B:EQQ102 4.7 40.5 1.0 C25 B:EQQ102 4.7 46.2 1.0 C14 B:EQQ102 4.7 36.1 1.0 N29 B:EQQ102 4.7 41.5 1.0 N51 B:EQQ102 4.7 44.5 1.0 N35 B:EQQ102 4.7 42.2 1.0 O4' A:DC2 4.8 49.4 1.0 N2 B:DG9 4.9 42.0 1.0

K.Mcquaid, J.P.Hall, J.A.Brazier, D.J.Cardin, C.J.Cardin. X-Ray Crystal Structures Show Dna Stacking Advantage of Terminal Nitrile Substitution in Ru-Dppz Complexes. Chemistry V. 24 15859 2018.
ISSN: ISSN 0947-6539
PubMed: 30063271
DOI: 10.1002/CHEM.201803021